tert-butyl 4-[(4-cyanophenyl)methyl-(4-cyanophenyl)sulfonyl-amino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-cyanophenyl)methyl-(4-cyanophenyl)sulfonyl-amino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[(4-cyanophenyl)methyl-(4-cyanophenyl)sulfonyl-amino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[(4-cyanophenyl)methyl-(4-cyanophenyl)sulfonylamino]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-cyanophenyl)methyl-(4-cyanophenyl)sulfonylamino]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[(4-cyanobenzyl)-(4-cyanophenyl)sulfonyl-amino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C28H31N5O5S2 MolecularWeight: 581.70624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N(CC3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N(CC3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H31N5O5S2/c1-28(2,3)38-27(35)32-18-23(14-25(32)26(34)31-12-13-39-19-31)33(17-22-6-4-20(15-29)5-7-22)40(36,37)24-10-8-21(16-30)9-11-24/h4-11,23,25H,12-14,17-19H2,1-3H3